4-Chlorodiphenylmethane - ≥96%(GC) , CAS No.831-81-2

CAS: 831-81-2 Cat. No.: C139306 Formule: C₁₃H₁₁Cl Poids moléculaire: 202.68 Numéro CE: 674-045-5

QUALITÉ & PURETÉ ≥96%(GC)

Synonyms

4-chlorophenyl phenylmethane | Methane, (4-chlorophenyl)phenyl- | SY016885 | (4-CHLOROPHENYL)PHENYLMETHANE | (p-Chlorophenyl)phenylmethane | 4-Chloroditan | AC7678 | Benzene, 1-chloro-4-(phenylmethyl)- | p-Chlordiphenylmethan | AKOS015901414 | MFCD0009407

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

4-chlorophenyl phenylmethane | Methane, (4-chlorophenyl)phenyl- | SY016885 | (4-CHLOROPHENYL)PHENYLMETHANE | (p-Chlorophenyl)phenylmethane | 4-Chloroditan | AC7678 | Benzene, 1-chloro-4-(phenylmethyl)- | p-Chlordiphenylmethan | AKOS015901414 | MFCD0009407

Spécifications et pureté

≥96%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥96%(GC)

Noms et identifiants

Pubchem Sid

488181822

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181822

Sourires canoniques

C1=CC=C(C=C1)CC2=CC=C(C=C2)Cl

IUPAC Name

1-benzyl-4-chlorobenzene

InChIKey

NPOGRKGIBGKRNI-UHFFFAOYSA-N

INCHI

1S/C13H11Cl/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2

Isomères SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)Cl

Poids moléculaire

202.68

Reaxy-Rn

1943635

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1943635&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Chlorobenzenes Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Indice de réfraction: 1.59
• Point d'ébullition (°C): 153 °C/10 mmHg
• Point de fusion (°C): 7 °C
• Poids moléculaire: 202.680 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 202.055 Da
• Monoisotopic Mass: 202.055 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 153.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1